dimethylsilyl 2-methylbut-2-enoate

C7H14O2Si — CID 123251992

IUPACdimethylsilyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)O[SiH](C)C
InChIInChI=1S/C7H14O2Si/c1-5-6(2)7(8)9-10(3)4/h5,10H,1-4H3
InChIKeyXDFKFFYLDRWEPB-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.48
Rot. Bonds2

About dimethylsilyl 2-methylbut-2-enoate

dimethylsilyl 2-methylbut-2-enoate (PubChem CID 123251992) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is dimethylsilyl 2-methylbut-2-enoate.

Molecular Properties

Compound Namedimethylsilyl 2-methylbut-2-enoate
PubChem CID123251992
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namedimethylsilyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)O[SiH](C)C
InChIInChI=1S/C7H14O2Si/c1-5-6(2)7(8)9-10(3)4/h5,10H,1-4H3
InChIKeyXDFKFFYLDRWEPB-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-methylbut-2-enoyl]peroxycarbonyl (E)-2-methylbut-2-eneperoxoate
CID 140987479
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
CID 73426848
cyano 2-methylbut-2-enoate
CID 154195789
chloromethane;dimethylamino (E)-2-methylbut-2-enoate
CID 88606182
ethanamine;methyl 2-methylbut-2-enoate
CID 175288046
azane;3-hydroxypropyl 2-methylbut-2-enoate;hydrochloride
CID 173093194
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
4-dimethylsilyloxy-3-methylpent-3-en-2-one
CID 123894610
oxiran-2-yl (E)-2-methylbut-2-enoate
CID 151801288
1,2,2-tris(sulfanyl)ethyl 2-methylbut-2-enoate
CID 173491072
1-acetyloxyethyl (E)-2-methylbut-2-enoate
CID 87922241

Frequently Asked Questions

What is the IUPAC name of dimethylsilyl 2-methylbut-2-enoate?
The IUPAC name of dimethylsilyl 2-methylbut-2-enoate (CID 123251992) is dimethylsilyl 2-methylbut-2-enoate.
What is the SMILES notation for dimethylsilyl 2-methylbut-2-enoate?
The canonical SMILES for dimethylsilyl 2-methylbut-2-enoate is CC=C(C)C(=O)O[SiH](C)C.
What is the InChIKey of dimethylsilyl 2-methylbut-2-enoate?
The InChIKey is XDFKFFYLDRWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-5-6(2)7(8)9-10(3)4/h5,10H,1-4H3.
What are the key properties of dimethylsilyl 2-methylbut-2-enoate?
dimethylsilyl 2-methylbut-2-enoate has a molecular weight of 158.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 2-methylbut-2-enoate is sourced from PubChem (CID 123251992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).